1.0 2010-04-08 22:13:26 UTC 2019-11-26 03:15:31 UTC FDB017993 Octyl acetate Present in citrus peel oils, wheat bread, cheddar cheese, wines, banana, sour cherry and other foodstuffs. Flavour ingredient Octyl acetate, or octyl ethanoate, is an ester that is formed from octanol (octyl alcohol) and acetic acid. It is the basis for artificial orange flavoring. Octyl acetate is found in many foods, some of which are alcoholic beverages, milk and milk products, lemon, and fruits. 1-Octanol acetate 1-Octyl acetate 2-Ethylhexyl acetate Acetate C-8 Acetic acid n-octyl ester Acetic acid octyl ester Acetic acid, octyl ester Caprylyl acetate FEMA 2806 N-octanyl acetate N-octyl acetate N-octyl ethanoate Octanol acetate Octyl acetate Octyl acetate (van) Octyl acetate, normal Octyl alcohol acetate Octyl ethanoate C10H20O2 172.2646 172.146329884 octyl acetate octyl acetate 112-14-1 CCCCCCCCOC(C)=O InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 YLYBTZIQSIBWLI-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters acetate ester Liquid logp 4.12 ALOGPS logs -3.65 ALOGPS solubility 3.87e-02 g/l ALOGPS melting_point -38.5 oC logp 3.02 ChemAxon pka_strongest_basic -7 ChemAxon iupac octyl acetate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCCCCOC(C)=O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 ChemAxon inchikey YLYBTZIQSIBWLI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.69 ChemAxon polarizability 21.67 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7976 Specdb::MsIr 7977 Specdb::NmrOneD 256968 Specdb::NmrOneD 256969 Specdb::NmrOneD 256970 Specdb::NmrOneD 256971 Specdb::NmrOneD 256972 Specdb::NmrOneD 256973 Specdb::NmrOneD 256974 Specdb::NmrOneD 256975 Specdb::NmrOneD 256976 Specdb::NmrOneD 256977 Specdb::NmrOneD 256978 Specdb::NmrOneD 256979 Specdb::NmrOneD 256980 Specdb::NmrOneD 256981 Specdb::NmrOneD 256982 Specdb::NmrOneD 256983 Specdb::NmrOneD 256984 Specdb::NmrOneD 256985 Specdb::NmrOneD 256986 Specdb::NmrOneD 256987 Specdb::CMs 2634 Specdb::CMs 26988 Specdb::CMs 27052 Specdb::CMs 27830 Specdb::CMs 27844 Specdb::CMs 28456 Specdb::CMs 101975 Specdb::CMs 101976 Specdb::CMs 101977 Specdb::CMs 101978 Specdb::CMs 101979 Specdb::CMs 167491 Specdb::MsMs 102228 Specdb::MsMs 102229 Specdb::MsMs 102230 Specdb::MsMs 168003 Specdb::MsMs 168004 Specdb::MsMs 168005 Specdb::MsMs 2442799 Specdb::MsMs 2442800 Specdb::MsMs 2442801 Specdb::MsMs 2519538 Specdb::MsMs 2519539 Specdb::MsMs 2519540 HMDB38602 #<Reference:0x000055ce2f448fd8> Alcoholic beverages Unknown generic Asian pear Type 1 specific Pyrus pyrifolia 3767 Blackberry Type 1 specific Rubus Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Citrus Unknown generic Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Guava Type 1 specific Psidium guajava 120290 Lemon Type 1 specific Citrus limon 2708 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.3 0.3 0.3 mg/100 g Milk and milk products Unknown generic Muskmelon Type 1 specific Cucumis melo 3656 Pear Type 1 specific Pyrus communis 23211 Sweet orange Type 1 specific Citrus sinensis 2711 1.0 1.0 1.0 mg/100 g earthy green herbal mushroom waxy